CHLOROXINE

Search structure
Trade Names:
Synonyms:
Status: Approved (1976)
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 2I8BD50I8B

Structure
InChI Key WDFKMLRRRCGAKS-UHFFFAOYSA-N
Smile Oc1c(Cl)cc(Cl)c2cccnc12
InChI
InChI=1S/C9H5Cl2NO/c10-6-4-7(11)9(13)8-5(6)2-1-3-12-8/h1-4,13H

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H5Cl2NO
Molecular Weight 214.05
AlogP 3.25
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 0.0
Polar Surface Area 33.12
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 13.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR DNA inhibitor
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- 4900 - -
Enzyme Kinase
148 - - - -
Enzyme Oxidoreductase
- 2400 - - -
Enzyme Protease Metallo protease Metallo protease MAE clan Metallo protease M27 family
- 11500 - - -
Enzyme Protease Metallo protease Metallo protease MAM clan Metallo protease M10A subfamily
- 15900 2400 - -
Enzyme Transferase
- 7240 4600 - 5.21-21.65
Enzyme
148 11500 2400 - 5.21-21.65
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - 6.37-17.76
Membrane receptor Family A G protein-coupled receptor Peptide receptor (family A GPCR) Short peptide receptor (family A GPCR) Opioid receptor
- 4560 - - -
Transcription factor Nuclear receptor Nuclear hormone receptor subfamily 1 Nuclear hormone receptor subfamily 1 group I Nuclear hormone receptor subfamily 1 group I member 2
39800 - - - -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 43.47

Related Entries

MCS

Scaffolds

Cross References

Resources Reference
CAS NUMBER 773-76-2
ChEBI 59477
ChEMBL CHEMBL1200596
DrugBank DB01243
DrugCentral 611
EPA CompTox DTXSID5022801
FDA SRS 2I8BD50I8B
Human Metabolome Database HMDB0015373
PharmGKB PA164754879
PubChem 2722
SureChEMBL SCHEMBL3350
ZINC ZINC000000001131
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